data_4248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LEF1 HMG Domain (From Mouse), Complexed with DNA (15bp), NMR, 12 Structures ; _BMRB_accession_number 4248 _BMRB_flat_file_name bmr4248.str _Entry_type new _Submission_date 1998-10-16 _Accession_date 1998-10-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li X. . . 2 Love J. J. . 3 Case D. A. . 4 Wright P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 733 "13C chemical shifts" 309 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-14 update BMRB 'update DNA residue label to two-letter code' 1999-11-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for DNA bending by the architectural transcription factor LEF-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Love J. J. . 2 Li X. . . 3 Case D. A. . 4 Giese K. . . 5 Grosschedl R. . . 6 Wright P. E. . stop_ _Journal_abbreviation Nature _Journal_volume 376 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 791 _Page_last . _Year 1995 _Details . save_ ################################## # Molecular system description # ################################## save_LEF-1(HMG)-DNA _Saveframe_category molecular_system _Mol_system_name 'Lymphoid enhancer-binding factor' _Abbreviation_common LEF-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LEF-1(HMG) $LEF-1(HMG) DNA_chain_B $DNA_chain_B DNA_chain_C $DNA_chain_C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LEF-1(HMG) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Lymphoid enhancer-binding factor' _Name_variant 'CHAIN A, C25S' _Abbreviation_common LEF-1 _Molecular_mass . _Mol_thiol_state . loop_ _Biological_function 'Transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; MHIKKPLNAFMLYMKEMRAN VVAESTLKESAAINQILGRR WHALSREEQAKYYELARKER QLHMQLYPGWSARDNYGKKK KRKREK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 ILE 4 LYS 5 LYS 6 PRO 7 LEU 8 ASN 9 ALA 10 PHE 11 MET 12 LEU 13 TYR 14 MET 15 LYS 16 GLU 17 MET 18 ARG 19 ALA 20 ASN 21 VAL 22 VAL 23 ALA 24 GLU 25 SER 26 THR 27 LEU 28 LYS 29 GLU 30 SER 31 ALA 32 ALA 33 ILE 34 ASN 35 GLN 36 ILE 37 LEU 38 GLY 39 ARG 40 ARG 41 TRP 42 HIS 43 ALA 44 LEU 45 SER 46 ARG 47 GLU 48 GLU 49 GLN 50 ALA 51 LYS 52 TYR 53 TYR 54 GLU 55 LEU 56 ALA 57 ARG 58 LYS 59 GLU 60 ARG 61 GLN 62 LEU 63 HIS 64 MET 65 GLN 66 LEU 67 TYR 68 PRO 69 GLY 70 TRP 71 SER 72 ALA 73 ARG 74 ASP 75 ASN 76 TYR 77 GLY 78 LYS 79 LYS 80 LYS 81 LYS 82 ARG 83 LYS 84 ARG 85 GLU 86 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LEF "Lef1 Hmg Domain (From Mouse), Complexed With Dna (15bp), Nmr, 12 Structures" 100.00 86 100.00 100.00 2.24e-54 DBJ BAA03954 "LEF-1S [Mus musculus]" 98.84 284 98.82 98.82 1.15e-52 DBJ BAC25837 "unnamed protein product [Mus musculus]" 98.84 384 98.82 98.82 8.60e-52 DBJ BAC28841 "unnamed protein product [Mus musculus]" 98.84 384 98.82 98.82 8.60e-52 DBJ BAC38867 "unnamed protein product [Mus musculus]" 98.84 331 98.82 98.82 3.12e-52 DBJ BAD74116 "lymphoid enhancer binding protein 1 (LEF-1) homologue [Pelodiscus sinensis]" 98.84 398 98.82 98.82 1.15e-51 EMBL CAA41493 "lymphoid enhancer factor 1 [Mus musculus]" 98.84 397 98.82 98.82 1.01e-51 EMBL CAH56421 "hypothetical protein [Homo sapiens]" 60.47 69 100.00 100.00 4.76e-28 GB AAC24524 "transcription factor LEF-1 [Gallus gallus]" 98.84 369 98.82 98.82 8.78e-52 GB AAD16968 "HMG-box transcription factor TCF4E [Mus musculus]" 83.72 308 97.22 97.22 1.07e-42 GB AAD41489 "lymphocyte enhancer binding factor 1 Lef1 [Danio rerio]" 98.84 365 98.82 98.82 1.69e-51 GB AAD41490 "transcription factor Tcf4 [Danio rerio]" 79.07 102 97.06 97.06 1.67e-39 GB AAF13268 "lymphoid enhancer binding factor-1 [Homo sapiens]" 98.84 399 98.82 98.82 1.29e-51 PIR B39625 "T-cell receptor alpha enhancer-binding protein, short form - human" 98.84 371 98.82 98.82 9.38e-52 REF NP_001082124 "lymphoid enhancer-binding factor 1 [Xenopus laevis]" 98.84 372 97.65 98.82 5.16e-51 REF NP_001083866 "transcription factor 7-like 2 [Xenopus laevis]" 98.84 482 97.65 97.65 8.53e-50 REF NP_001090203 "lymphoid enhancer factor XLEF-1B [Xenopus laevis]" 98.84 372 98.82 98.82 2.37e-51 REF NP_001123439 "lymphoid enhancer-binding factor 1 [Sus scrofa]" 98.84 398 98.82 98.82 1.20e-51 REF NP_001124185 "lymphoid enhancer-binding factor 1 isoform 2 [Homo sapiens]" 98.84 371 98.82 98.82 9.38e-52 SP P27782 "RecName: Full=Lymphoid enhancer-binding factor 1; Short=LEF-1" 98.84 397 98.82 98.82 1.01e-51 SP Q9QXN1 "RecName: Full=Lymphoid enhancer-binding factor 1; Short=LEF-1" 98.84 397 98.82 98.82 1.22e-51 SP Q9UJU2 "RecName: Full=Lymphoid enhancer-binding factor 1; Short=LEF-1; AltName: Full=T cell-specific transcription factor 1-alpha; Shor" 98.84 399 98.82 98.82 1.29e-51 TPG DAA28899 "TPA: lymphoid enhancer-binding factor 1 [Bos taurus]" 98.84 399 98.82 98.82 1.28e-51 stop_ save_ save_DNA_chain_B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA _Name_variant 'DNA Top Strand, Chain B' _Abbreviation_common DNA_chain_B _Molecular_mass . _Mol_thiol_state . loop_ _Biological_function 'Lymphoid enhancer element' stop_ _Details . _Residue_count 15 _Mol_residue_sequence CACCCTTTGAAGCTC loop_ _Residue_seq_code _Residue_label 1 DC 2 DA 3 DC 4 DC 5 DC 6 DT 7 DT 8 DT 9 DG 10 DA 11 DA 12 DG 13 DC 14 DT 15 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_chain_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA _Name_variant 'DNA Bottom Strand, Chain C' _Abbreviation_common DNA_chain_C _Molecular_mass . _Mol_thiol_state . loop_ _Biological_function 'Lymphoid enhancer element' stop_ _Details . _Residue_count 15 _Mol_residue_sequence GAGCTTCAAAGGGTG loop_ _Residue_seq_code _Residue_label 1 DG 2 DA 3 DG 4 DC 5 DT 6 DT 7 DC 8 DA 9 DA 10 DA 11 DG 12 DG 13 DG 14 DT 15 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $LEF-1(HMG) mouse 10090 Eukaryota Metazoa Mus musculus 'PRE-B AND T LYMPHOCYTE' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $LEF-1(HMG) 'recombinant technology' 'E. coli' . . BL21(DE3) . $DNA_chain_B 'chemical synthesis' . . . . . $DNA_chain_C 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LEF-1(HMG)-DNA 1.2 mM 1.0 1.8 '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version 2.30 _Details . save_ save_software_two _Saveframe_category software _Name DIANA _Version 2.80 _Details . save_ save_software_three _Saveframe_category software _Name AMBER _Version 4.10 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_three _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_CT-HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HNCA _Sample_label $sample_one save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_one save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_one save_ save_C(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label $sample_one save_ save_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_one save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_one save_ save_(15N)3D_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '(15N)3D NOESY-HSQC' _Sample_label $sample_one save_ save_(13C)3D_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '(13C)3D NOESY-HSQC' _Sample_label $sample_one save_ save_(13C/13C)4D_HMQC-NOESY-HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '(13C/13C)4D HMQC-NOESY-HMQC' _Sample_label $sample_one save_ save_2D_13C/15N_DOUBLE_HALF-FILTERED_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C/15N DOUBLE HALF-FILTERED NOESY' _Sample_label $sample_one save_ save_3D_13C-SELECTED(W1,W2)_12C-FILTERED_(W3)_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-SELECTED(W1,W2) 12C-FILTERED (W3) NOESY' _Sample_label $sample_one save_ save_2D_1H_NOESY,_AROMATIC_13C_CT-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H NOESY, AROMATIC 13C CT-HSQC' _Sample_label $sample_one save_ save_HNCA-J_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-J _Sample_label $sample_one save_ save_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_one save_ save_HNHB_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_one save_ save_HACAHB-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name HACAHB-COSY _Sample_label $sample_one save_ save_HMBC_17 _Saveframe_category NMR_applied_experiment _Experiment_name HMBC _Sample_label $sample_one save_ save_3D_LRCC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D LRCC' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '(15N)3D NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '(13C)3D NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '(13C/13C)4D HMQC-NOESY-HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C/15N DOUBLE HALF-FILTERED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-SELECTED(W1,W2) 12C-FILTERED (W3) NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H NOESY, AROMATIC 13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-J _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name HACAHB-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name HMBC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D LRCC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.2 n/a temperature 303 1 K 'ionic strength' 0.01 0.002 M pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 . direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name LEF-1(HMG) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 52.89 . 1 2 . 1 MET HA H 4.15 . 1 3 . 1 MET CB C 31.04 . 1 4 . 1 MET HB2 H 2.62 . 2 5 . 1 MET CG C 28.72 . 1 6 . 1 MET HG2 H 2.22 . 2 7 . 1 MET CE C 14.85 . 1 8 . 1 MET HE H 2.20 . 1 9 . 2 HIS CA C 53.55 . 1 10 . 2 HIS HA H 4.83 . 1 11 . 2 HIS CB C 28.30 . 1 12 . 2 HIS HB2 H 3.24 . 1 13 . 2 HIS HB3 H 3.11 . 1 14 . 2 HIS HD2 H 6.98 . 1 15 . 2 HIS CD2 C 116.13 . 1 16 . 2 HIS HE1 H 8.27 . 1 17 . 2 HIS CE1 C 135.37 . 1 18 . 3 ILE N N 129.44 . 1 19 . 3 ILE H H 9.01 . 1 20 . 3 ILE CA C 57.97 . 1 21 . 3 ILE HA H 3.89 . 1 22 . 3 ILE CB C 35.52 . 1 23 . 3 ILE HB H 1.72 . 1 24 . 3 ILE CG1 C 24.56 . 1 25 . 3 ILE HG12 H 1.31 . 2 26 . 3 ILE HG13 H 0.71 . 2 27 . 3 ILE CG2 C 13.90 . 1 28 . 3 ILE HG2 H -0.25 . 1 29 . 3 ILE CD1 C 11.0 . 1 30 . 3 ILE HD1 H 0.73 . 1 31 . 4 LYS N N 127.86 . 1 32 . 4 LYS H H 8.16 . 1 33 . 4 LYS CA C 54.22 . 1 34 . 4 LYS HA H 4.19 . 1 35 . 4 LYS CB C 31.74 . 1 36 . 4 LYS HB2 H 1.73 . 2 37 . 4 LYS CG C 22.13 . 1 38 . 4 LYS HG2 H 1.53 . 2 39 . 4 LYS HG3 H 1.49 . 2 40 . 4 LYS CD C 27.10 . 1 41 . 4 LYS HD2 H 1.91 . 2 42 . 4 LYS HD3 H 1.76 . 2 43 . 4 LYS CE C 39.86 . 1 44 . 4 LYS HE2 H 3.07 . 2 45 . 5 LYS N N 120.01 . 1 46 . 5 LYS H H 7.47 . 1 47 . 5 LYS CA C 51.63 . 1 48 . 5 LYS HA H 3.73 . 1 49 . 5 LYS CB C 26.99 . 1 50 . 5 LYS HB2 H 1.69 . 2 51 . 5 LYS HB3 H 1.61 . 2 52 . 5 LYS CG C 19.30 . 1 53 . 5 LYS HG2 H 1.86 . 2 54 . 5 LYS HG3 H 1.44 . 2 55 . 5 LYS CD C 23.75 . 1 56 . 5 LYS HD2 H 1.54 . 2 57 . 5 LYS HD3 H 1.41 . 2 58 . 5 LYS CE C 38.7 . 1 59 . 5 LYS HE2 H 3.18 . 2 60 . 6 PRO CA C 59.24 . 1 61 . 6 PRO HA H 4.38 . 1 62 . 6 PRO CB C 28.56 . 1 63 . 6 PRO HB2 H 2.01 . 2 64 . 6 PRO HB3 H 1.71 . 2 65 . 6 PRO CG C 24.58 . 1 66 . 6 PRO HG2 H 1.68 . 2 67 . 6 PRO HG3 H 1.23 . 2 68 . 7 LEU N N 121.68 . 1 69 . 7 LEU H H 8.45 . 1 70 . 7 LEU CA C 52.86 . 1 71 . 7 LEU HA H 4.22 . 1 72 . 7 LEU CB C 39.06 . 1 73 . 7 LEU HB2 H 1.62 . 1 74 . 7 LEU HB3 H 1.09 . 1 75 . 7 LEU CG C 25.37 . 1 76 . 7 LEU HG H 1.72 . 1 77 . 7 LEU CD1 C 22.36 . 2 78 . 7 LEU HD1 H 0.77 . 2 79 . 7 LEU CD2 C 21.20 . 2 80 . 7 LEU HD2 H 0.64 . 2 81 . 8 ASN N N 117.27 . 1 82 . 8 ASN H H 7.65 . 1 83 . 8 ASN CA C 48.70 . 1 84 . 8 ASN HA H 4.45 . 1 85 . 8 ASN CB C 35.49 . 1 86 . 8 ASN HB2 H 3.23 . 2 87 . 9 ALA N N 115.51 . 1 88 . 9 ALA H H 8.39 . 1 89 . 9 ALA CA C 53.64 . 1 90 . 9 ALA HA H 3.57 . 1 91 . 9 ALA CB C 16.98 . 1 92 . 9 ALA HB H 0.61 . 1 93 . 10 PHE N N 112.57 . 1 94 . 10 PHE H H 6.55 . 1 95 . 10 PHE CA C 56.98 . 1 96 . 10 PHE HA H 2.74 . 1 97 . 10 PHE CB C 35.99 . 1 98 . 10 PHE HB2 H 2.22 . 1 99 . 10 PHE HB3 H 1.46 . 1 100 . 10 PHE HD1 H 6.96 . 3 101 . 10 PHE HE1 H 6.39 . 3 102 . 10 PHE CE1 C 135.60 . 3 103 . 10 PHE HZ H 7.261 . 1 104 . 11 MET N N 117.57 . 1 105 . 11 MET H H 7.79 . 1 106 . 11 MET CA C 54.14 . 1 107 . 11 MET HA H 3.45 . 1 108 . 11 MET CB C 29.40 . 1 109 . 11 MET HB2 H 1.88 . 1 110 . 11 MET HB3 H 1.16 . 1 111 . 11 MET CG C 30.46 . 1 112 . 11 MET HG2 H 2.37 . 2 113 . 11 MET HG3 H 1.72 . 2 114 . 11 MET CE C 13.30 . 1 115 . 11 MET HE H -0.16 . 1 116 . 12 LEU N N 120.80 . 1 117 . 12 LEU H H 8.06 . 1 118 . 12 LEU CA C 55.45 . 1 119 . 12 LEU HA H 3.90 . 1 120 . 12 LEU CB C 39.17 . 1 121 . 12 LEU HB2 H 1.88 . 1 122 . 12 LEU HB3 H 1.47 . 1 123 . 12 LEU CG C 24.15 . 1 124 . 12 LEU HG H 1.48 . 1 125 . 12 LEU CD1 C 23.43 . 2 126 . 12 LEU HD1 H 0.72 . 2 127 . 12 LEU CD2 C 20.70 . 2 128 . 12 LEU HD2 H 0.80 . 2 129 . 13 TYR N N 124.32 . 1 130 . 13 TYR H H 7.50 . 1 131 . 13 TYR CA C 59.00 . 1 132 . 13 TYR HA H 3.61 . 1 133 . 13 TYR CB C 35.04 . 1 134 . 13 TYR HB2 H 2.03 . 1 135 . 13 TYR HB3 H 2.50 . 1 136 . 13 TYR HD1 H 6.40 . 3 137 . 13 TYR CD1 C 131.00 . 3 138 . 13 TYR HE1 H 6.86 . 3 139 . 13 TYR CE1 C 115.95 . 1 140 . 14 MET N N 117.57 . 1 141 . 14 MET H H 8.03 . 1 142 . 14 MET CA C 58.01 . 1 143 . 14 MET HA H 3.16 . 1 144 . 14 MET CB C 30.84 . 1 145 . 14 MET HB2 H 1.56 . 2 146 . 14 MET HB3 H 1.53 . 2 147 . 14 MET CG C 29.13 . 1 148 . 14 MET HG2 H 1.48 . 2 149 . 14 MET HG3 H 1.37 . 2 150 . 14 MET CE C 15.18 . 1 151 . 14 MET HE H 1.49 . 1 152 . 15 LYS N N 116.68 . 1 153 . 15 LYS H H 7.35 . 1 154 . 15 LYS CA C 56.62 . 1 155 . 15 LYS HA H 3.80 . 1 156 . 15 LYS CB C 29.57 . 1 157 . 15 LYS HB2 H 1.80 . 2 158 . 15 LYS CG C 21.90 . 1 159 . 15 LYS HG2 H 1.44 . 2 160 . 15 LYS HG3 H 1.33 . 2 161 . 15 LYS CD C 26.78 . 1 162 . 15 LYS HD2 H 1.53 . 2 163 . 15 LYS CE C 39.29 . 1 164 . 15 LYS HE2 H 2.88 . 2 165 . 16 GLU N N 116.98 . 1 166 . 16 GLU H H 7.31 . 1 167 . 16 GLU CA C 56.11 . 1 168 . 16 GLU HA H 4.10 . 1 169 . 16 GLU CB C 27.98 . 1 170 . 16 GLU HB2 H 2.13 . 2 171 . 16 GLU HB3 H 2.07 . 2 172 . 16 GLU CG C 33.79 . 1 173 . 16 GLU HG2 H 2.37 . 2 174 . 16 GLU HG3 H 2.33 . 2 175 . 17 MET N N 114.04 . 1 176 . 17 MET H H 7.96 . 1 177 . 17 MET CA C 52.00 . 1 178 . 17 MET HA H 4.60 . 1 179 . 17 MET CB C 30.03 . 1 180 . 17 MET HB2 H 1.16 . 1 181 . 17 MET HB3 H 1.53 . 1 182 . 17 MET CG C 30.36 . 1 183 . 17 MET HG2 H 2.08 . 2 184 . 17 MET CE C 14.58 . 1 185 . 17 MET HE H 2.07 . 1 186 . 18 ARG N N 121.09 . 1 187 . 18 ARG H H 8.38 . 1 188 . 18 ARG CA C 59.21 . 1 189 . 18 ARG HA H 3.54 . 1 190 . 18 ARG CB C 26.77 . 1 191 . 18 ARG HB2 H 1.88 . 1 192 . 18 ARG HB3 H 1.62 . 1 193 . 18 ARG CG C 25.18 . 1 194 . 18 ARG HG2 H 1.50 . 2 195 . 18 ARG HG3 H 1.31 . 2 196 . 18 ARG CD C 40.45 . 1 197 . 18 ARG HD2 H 3.18 . 2 198 . 18 ARG HD3 H 3.00 . 2 199 . 19 ALA N N 118.45 . 1 200 . 19 ALA H H 8.49 . 1 201 . 19 ALA CA C 52.91 . 1 202 . 19 ALA HA H 4.01 . 1 203 . 19 ALA CB C 15.46 . 1 204 . 19 ALA HB H 1.38 . 1 205 . 20 ASN N N 116.68 . 1 206 . 20 ASN H H 7.88 . 1 207 . 20 ASN CA C 53.40 . 1 208 . 20 ASN HA H 4.47 . 1 209 . 20 ASN CB C 36.00 . 1 210 . 20 ASN HB2 H 2.85 . 1 211 . 20 ASN HB3 H 2.91 . 1 212 . 20 ASN ND2 N 111.62 . 1 213 . 20 ASN HD21 H 7.31 . 2 214 . 20 ASN HD22 H 6.99 . 2 215 . 21 VAL N N 119.91 . 1 216 . 21 VAL H H 7.68 . 1 217 . 21 VAL CA C 64.00 . 1 218 . 21 VAL HA H 3.77 . 1 219 . 21 VAL CB C 28.73 . 1 220 . 21 VAL HB H 2.06 . 1 221 . 21 VAL CG1 C 20.11 . 1 222 . 21 VAL HG1 H 0.98 . 1 223 . 21 VAL CG2 C 20.92 . 1 224 . 21 VAL HG2 H 0.94 . 1 225 . 22 VAL N N 122.56 . 1 226 . 22 VAL H H 8.59 . 1 227 . 22 VAL CA C 64.35 . 1 228 . 22 VAL HA H 3.62 . 1 229 . 22 VAL CB C 29.54 . 1 230 . 22 VAL HB H 2.11 . 1 231 . 22 VAL CG1 C 18.89 . 1 232 . 22 VAL HG1 H 0.96 . 1 233 . 22 VAL CG2 C 21.0 . 1 234 . 22 VAL HG2 H 1.04 . 1 235 . 23 ALA N N 119.03 . 1 236 . 23 ALA H H 7.51 . 1 237 . 23 ALA CA C 52.10 . 1 238 . 23 ALA HA H 4.15 . 1 239 . 23 ALA CB C 15.81 . 1 240 . 23 ALA HB H 1.53 . 1 241 . 24 GLU N N 114.63 . 1 242 . 24 GLU H H 7.65 . 1 243 . 24 GLU CA C 54.98 . 1 244 . 24 GLU HA H 4.25 . 1 245 . 24 GLU CB C 28.32 . 1 246 . 24 GLU HB2 H 2.12 . 2 247 . 24 GLU CG C 33.84 . 1 248 . 24 GLU HG2 H 2.48 . 2 249 . 24 GLU HG3 H 2.32 . 2 250 . 25 SER N N 113.45 . 1 251 . 25 SER H H 7.95 . 1 252 . 25 SER CA C 56.64 . 1 253 . 25 SER HA H 4.60 . 1 254 . 25 SER CB C 63.03 . 1 255 . 25 SER HB3 H 3.91 . 2 256 . 25 SER HB2 H 4.60 . 2 257 . 26 THR N N 114.59 . 1 258 . 26 THR H H 8.20 . 1 259 . 26 THR CA C 61.18 . 1 260 . 26 THR HA H 4.26 . 1 261 . 26 THR CB C 66.65 . 1 262 . 26 THR HB H 4.44 . 1 263 . 26 THR CG2 C 19.40 . 1 264 . 26 THR HG2 H 1.25 . 1 265 . 27 LEU N N 122.26 . 1 266 . 27 LEU H H 7.81 . 1 267 . 27 LEU CA C 52.63 . 1 268 . 27 LEU HA H 4.43 . 1 269 . 27 LEU CB C 40.74 . 1 270 . 27 LEU HB2 H 1.64 . 1 271 . 27 LEU HB3 H 1.44 . 1 272 . 27 LEU CG C 24.56 . 1 273 . 27 LEU HG H 1.56 . 1 274 . 27 LEU CD1 C 22.96 . 2 275 . 27 LEU HD1 H 0.90 . 1 276 . 27 LEU CD2 C 21.07 . 2 277 . 27 LEU HD2 H 0.90 . 1 278 . 28 LYS N N 117.27 . 1 279 . 28 LYS H H 8.38 . 1 280 . 28 LYS CA C 53.05 . 1 281 . 28 LYS HA H 4.45 . 1 282 . 28 LYS CB C 31.87 . 1 283 . 28 LYS HB2 H 1.69 . 1 284 . 28 LYS HB3 H 1.86 . 1 285 . 28 LYS CG C 22.08 . 1 286 . 28 LYS HG2 H 1.42 . 2 287 . 28 LYS CD C 26.25 . 1 288 . 28 LYS HD2 H 1.65 . 2 289 . 28 LYS CE C 40.06 . 1 290 . 28 LYS HE2 H 3.01 . 2 291 . 29 GLU N N 119.62 . 1 292 . 29 GLU H H 7.66 . 1 293 . 29 GLU CA C 54.80 . 1 294 . 29 GLU HA H 3.95 . 1 295 . 29 GLU CB C 27.46 . 1 296 . 29 GLU HB2 H 2.10 . 1 297 . 29 GLU HB3 H 2.24 . 1 298 . 29 GLU CG C 33.72 . 1 299 . 29 GLU HG2 H 2.53 . 2 300 . 29 GLU HG3 H 2.44 . 2 301 . 30 SER N N 121.38 . 1 302 . 30 SER H H 8.78 . 1 303 . 30 SER CA C 59.64 . 1 304 . 30 SER HA H 3.75 . 1 305 . 30 SER CB C 60.13 . 1 306 . 30 SER HB2 H 3.58 . 2 307 . 30 SER HB3 H 3.43 . 2 308 . 31 ALA N N 118.45 . 1 309 . 31 ALA H H 7.46 . 1 310 . 31 ALA CA C 53.26 . 1 311 . 31 ALA HA H 4.30 . 1 312 . 31 ALA CB C 15.43 . 1 313 . 31 ALA HB H 1.27 . 1 314 . 32 ALA N N 117.86 . 1 315 . 32 ALA H H 6.94 . 1 316 . 32 ALA CA C 51.94 . 1 317 . 32 ALA HA H 4.32 . 1 318 . 32 ALA CB C 16.30 . 1 319 . 32 ALA HB H 1.55 . 1 320 . 33 ILE N N 120.80 . 1 321 . 33 ILE H H 7.74 . 1 322 . 33 ILE CA C 60.49 . 1 323 . 33 ILE HA H 3.61 . 1 324 . 33 ILE CB C 33.65 . 1 325 . 33 ILE HB H 2.06 . 1 326 . 33 ILE CG1 C 25.37 . 1 327 . 33 ILE HG12 H 1.29 . 2 328 . 33 ILE HG13 H 1.24 . 1 329 . 33 ILE CG2 C 14.86 . 1 330 . 33 ILE HG2 H 0.76 . 1 331 . 33 ILE CD1 C 8.37 . 1 332 . 33 ILE HD1 H 0.62 . 1 333 . 34 ASN N N 120.80 . 1 334 . 34 ASN H H 8.62 . 1 335 . 34 ASN CA C 53.52 . 1 336 . 34 ASN HA H 4.57 . 1 337 . 34 ASN CB C 33.60 . 1 338 . 34 ASN HB2 H 2.78 . 2 339 . 35 GLN N N 117.86 . 1 340 . 35 GLN H H 7.67 . 1 341 . 35 GLN CA C 57.15 . 1 342 . 35 GLN HA H 4.04 . 1 343 . 35 GLN CB C 26.91 . 1 344 . 35 GLN HB2 H 2.44 . 1 345 . 35 GLN HB3 H 2.20 . 1 346 . 35 GLN CG C 33.33 . 1 347 . 35 GLN HG2 H 2.83 . 2 348 . 35 GLN HG3 H 2.33 . 2 349 . 35 GLN NE2 N 112.49 . 1 350 . 35 GLN HE21 H 7.32 . 2 351 . 35 GLN HE22 H 7.01 . 2 352 . 36 ILE N N 121.68 . 1 353 . 36 ILE H H 7.64 . 1 354 . 36 ILE CA C 63.39 . 1 355 . 36 ILE HA H 3.74 . 1 356 . 36 ILE CB C 35.25 . 1 357 . 36 ILE HB H 2.18 . 1 358 . 36 ILE CG1 C 26.58 . 1 359 . 36 ILE HG12 H 1.83 . 2 360 . 36 ILE HG13 H 1.12 . 2 361 . 36 ILE CG2 C 15.65 . 1 362 . 36 ILE HG2 H 0.94 . 1 363 . 36 ILE CD1 C 11.20 . 1 364 . 36 ILE HD1 H 0.87 . 1 365 . 37 LEU N N 119.33 . 1 366 . 37 LEU H H 8.81 . 1 367 . 37 LEU CA C 56.54 . 1 368 . 37 LEU HA H 4.17 . 1 369 . 37 LEU CB C 38.95 . 1 370 . 37 LEU HB2 H 2.26 . 2 371 . 37 LEU CG C 24.96 . 1 372 . 37 LEU HG H 1.74 . 1 373 . 37 LEU CD1 C 24.72 . 2 374 . 37 LEU HD1 H 0.75 . 2 375 . 37 LEU CD2 C 22.22 . 2 376 . 37 LEU HD2 H 0.63 . 2 377 . 38 GLY N N 106.11 . 1 378 . 38 GLY H H 8.59 . 1 379 . 38 GLY CA C 45.98 . 1 380 . 38 GLY HA2 H 3.85 . 2 381 . 38 GLY HA3 H 3.79 . 2 382 . 39 ARG N N 118.45 . 1 383 . 39 ARG H H 7.31 . 1 384 . 39 ARG CA C 57.23 . 1 385 . 39 ARG HA H 4.24 . 1 386 . 39 ARG CB C 27.74 . 1 387 . 39 ARG HB2 H 1.97 . 1 388 . 39 ARG HB3 H 2.13 . 1 389 . 39 ARG CG C 25.49 . 1 390 . 39 ARG HG2 H 1.97 . 2 391 . 39 ARG HG3 H 1.75 . 2 392 . 39 ARG CD C 41.43 . 1 393 . 39 ARG HD2 H 3.33 . 2 394 . 39 ARG HD3 H 3.22 . 2 395 . 40 ARG N N 119.91 . 1 396 . 40 ARG H H 8.69 . 1 397 . 40 ARG CA C 57.36 . 1 398 . 40 ARG HA H 4.04 . 1 399 . 40 ARG CB C 28.16 . 1 400 . 40 ARG HB2 H 2.14 . 2 401 . 40 ARG CG C 25.63 . 1 402 . 40 ARG HG2 H 1.96 . 2 403 . 40 ARG HG3 H 1.74 . 2 404 . 40 ARG CD C 41.26 . 1 405 . 40 ARG HD2 H 3.20 . 2 406 . 40 ARG HD3 H 3.01 . 2 407 . 41 TRP N N 121.09 . 1 408 . 41 TRP H H 8.68 . 1 409 . 41 TRP CA C 57.39 . 1 410 . 41 TRP HA H 3.83 . 1 411 . 41 TRP CB C 27.39 . 1 412 . 41 TRP HB2 H 3.29 . 2 413 . 41 TRP HB3 H 3.24 . 2 414 . 41 TRP HD1 H 5.71 . 1 415 . 41 TRP CD1 C 123.00 . 1 416 . 41 TRP HZ2 H 7.06 . 1 417 . 41 TRP CZ2 C 110.56 . 1 418 . 41 TRP NE1 N 131.8 . 1 419 . 41 TRP HE1 H 10.60 . 1 420 . 41 TRP HH2 H 6.72 . 1 421 . 41 TRP CH2 C 121.58 . 1 422 . 41 TRP HZ3 H 6.40 . 1 423 . 41 TRP CZ3 C 118.61 . 1 424 . 41 TRP HE3 H 6.11 . 1 425 . 41 TRP CE3 C 119.23 . 1 426 . 42 HIS N N 113.16 . 1 427 . 42 HIS H H 7.28 . 1 428 . 42 HIS CA C 55.80 . 1 429 . 42 HIS HA H 4.07 . 1 430 . 42 HIS CB C 28.23 . 1 431 . 42 HIS HB2 H 3.21 . 1 432 . 42 HIS HB3 H 3.27 . 1 433 . 43 ALA N N 118.74 . 1 434 . 43 ALA H H 7.34 . 1 435 . 43 ALA CA C 49.52 . 1 436 . 43 ALA HA H 4.36 . 1 437 . 43 ALA CB C 16.38 . 1 438 . 43 ALA HB H 1.51 . 1 439 . 44 LEU N N 120.50 . 1 440 . 44 LEU H H 7.06 . 1 441 . 44 LEU CA C 52.44 . 1 442 . 44 LEU HA H 4.25 . 1 443 . 44 LEU CB C 41.01 . 1 444 . 44 LEU HB2 H 1.51 . 1 445 . 44 LEU HB3 H 1.36 . 1 446 . 44 LEU CG C 23.75 . 1 447 . 44 LEU HG H 1.97 . 1 448 . 44 LEU CD1 C 24.02 . 2 449 . 44 LEU HD1 H 0.54 . 2 450 . 44 LEU CD2 C 20.06 . 2 451 . 44 LEU HD2 H 0.86 . 2 452 . 45 SER N N 115.80 . 1 453 . 45 SER H H 8.71 . 1 454 . 45 SER CA C 55.08 . 1 455 . 45 SER HA H 4.41 . 1 456 . 45 SER CB C 63.03 . 1 457 . 45 SER HB3 H 4.09 . 2 458 . 45 SER HB2 H 4.39 . 2 459 . 46 ARG N N 121.68 . 1 460 . 46 ARG H H 8.93 . 1 461 . 46 ARG CA C 57.10 . 1 462 . 46 ARG HA H 3.94 . 1 463 . 46 ARG CB C 26.88 . 1 464 . 46 ARG HB2 H 1.92 . 2 465 . 46 ARG HB3 H 1.85 . 2 466 . 46 ARG CG C 24.38 . 1 467 . 46 ARG HG2 H 1.71 . 2 468 . 46 ARG CD C 40.75 . 1 469 . 46 ARG HD2 H 3.26 . 2 470 . 47 GLU N N 118.45 . 1 471 . 47 GLU H H 8.80 . 1 472 . 47 GLU CA C 57.79 . 1 473 . 47 GLU HA H 4.08 . 1 474 . 47 GLU CB C 26.40 . 1 475 . 47 GLU HB2 H 2.09 . 1 476 . 47 GLU HB3 H 1.98 . 1 477 . 47 GLU CG C 34.76 . 1 478 . 47 GLU HG2 H 2.46 . 2 479 . 47 GLU HG3 H 2.30 . 2 480 . 48 GLU N N 120.21 . 1 481 . 48 GLU H H 7.76 . 1 482 . 48 GLU CA C 56.64 . 1 483 . 48 GLU HA H 4.21 . 1 484 . 48 GLU CB C 28.41 . 1 485 . 48 GLU HB2 H 2.33 . 1 486 . 48 GLU HB3 H 2.17 . 1 487 . 48 GLU CG C 35.25 . 1 488 . 48 GLU HG2 H 2.42 . 2 489 . 48 GLU HG3 H 2.36 . 2 490 . 49 GLN N N 116.39 . 1 491 . 49 GLN H H 8.34 . 1 492 . 49 GLN CA C 57.42 . 1 493 . 49 GLN HA H 3.95 . 1 494 . 49 GLN CB C 25.45 . 1 495 . 49 GLN HB2 H 2.02 . 2 496 . 49 GLN HB3 H 1.96 . 2 497 . 49 GLN CG C 31.29 . 1 498 . 49 GLN HG2 H 1.98 . 2 499 . 49 GLN HG3 H 1.83 . 2 500 . 50 ALA N N 120.21 . 1 501 . 50 ALA H H 8.20 . 1 502 . 50 ALA CA C 53.48 . 1 503 . 50 ALA HA H 4.43 . 1 504 . 50 ALA CB C 15.50 . 1 505 . 50 ALA HB H 1.64 . 1 506 . 51 LYS N N 117.27 . 1 507 . 51 LYS H H 7.40 . 1 508 . 51 LYS CA C 57.03 . 1 509 . 51 LYS HA H 4.05 . 1 510 . 51 LYS CB C 29.64 . 1 511 . 51 LYS HB2 H 1.89 . 2 512 . 51 LYS HB3 H 1.60 . 2 513 . 51 LYS CG C 21.68 . 1 514 . 51 LYS HG2 H 1.28 . 2 515 . 51 LYS HG3 H 0.81 . 2 516 . 51 LYS CD C 26.78 . 1 517 . 51 LYS HD2 H 1.59 . 2 518 . 51 LYS HD3 H 1.48 . 2 519 . 51 LYS CE C 39.77 . 1 520 . 51 LYS HE2 H 2.75 . 2 521 . 52 TYR N N 118.74 . 1 522 . 52 TYR H H 7.48 . 1 523 . 52 TYR CA C 60.05 . 1 524 . 52 TYR HA H 4.18 . 1 525 . 52 TYR CB C 35.57 . 1 526 . 52 TYR HB2 H 3.20 . 1 527 . 52 TYR HB3 H 3.70 . 1 528 . 52 TYR HD1 H 7.2599 . 3 529 . 52 TYR CD1 C 131.22 . 3 530 . 52 TYR HE1 H 6.96 . 3 531 . 52 TYR CE1 C 116.55 . 3 532 . 53 TYR N N 119.91 . 1 533 . 53 TYR H H 8.43 . 1 534 . 53 TYR CA C 61.55 . 1 535 . 53 TYR HA H 4.35 . 1 536 . 53 TYR CB C 35.56 . 1 537 . 53 TYR HB2 H 3.11 . 1 538 . 53 TYR HB3 H 3.20 . 1 539 . 53 TYR HD1 H 7.35 . 3 540 . 53 TYR CD1 C 131.48 . 3 541 . 53 TYR HE1 H 7.16 . 3 542 . 53 TYR CE1 C 116.36 . 3 543 . 54 GLU N N 121.68 . 1 544 . 54 GLU H H 8.48 . 1 545 . 54 GLU CA C 57.01 . 1 546 . 54 GLU HA H 4.38 . 1 547 . 54 GLU CB C 26.12 . 1 548 . 54 GLU HB2 H 2.20 . 1 549 . 54 GLU HB3 H 2.13 . 1 550 . 54 GLU CG C 33.32 . 1 551 . 54 GLU HG2 H 2.40 . 2 552 . 54 GLU HG3 H 2.33 . 2 553 . 55 LEU N N 120.21 . 1 554 . 55 LEU H H 7.83 . 1 555 . 55 LEU CA C 55.75 . 1 556 . 55 LEU HA H 4.15 . 1 557 . 55 LEU CB C 39.77 . 1 558 . 55 LEU HB2 H 1.94 . 1 559 . 55 LEU HB3 H 1.65 . 1 560 . 55 LEU CG C 24.15 . 1 561 . 55 LEU HG H 1.87 . 1 562 . 55 LEU CD1 C 22.5 . 2 563 . 55 LEU HD1 H 0.91 . 1 564 . 55 LEU CD2 C 20.57 . 2 565 . 55 LEU HD2 H 0.91 . 1 566 . 56 ALA N N 121.97 . 1 567 . 56 ALA H H 8.51 . 1 568 . 56 ALA CA C 52.77 . 1 569 . 56 ALA HA H 4.01 . 1 570 . 56 ALA CB C 15.21 . 1 571 . 56 ALA HB H 1.54 . 1 572 . 57 ARG N N 122.26 . 1 573 . 57 ARG H H 8.39 . 1 574 . 57 ARG CA C 57.79 . 1 575 . 57 ARG HA H 4.15 . 1 576 . 57 ARG CB C 27.37 . 1 577 . 57 ARG HB2 H 2.17 . 1 578 . 57 ARG HB3 H 2.06 . 1 579 . 57 ARG CG C 25.30 . 1 580 . 57 ARG HG2 H 1.96 . 2 581 . 57 ARG CD C 40.96 . 1 582 . 57 ARG HD2 H 3.34 . 2 583 . 58 LYS N N 120.50 . 1 584 . 58 LYS H H 7.97 . 1 585 . 58 LYS CA C 57.53 . 1 586 . 58 LYS HA H 4.14 . 1 587 . 58 LYS CB C 29.51 . 1 588 . 58 LYS HB2 H 2.05 . 2 589 . 58 LYS CG C 22.84 . 1 590 . 58 LYS HG2 H 1.71 . 2 591 . 58 LYS HG3 H 1.50 . 2 592 . 58 LYS CD C 26.86 . 1 593 . 58 LYS HD2 H 1.74 . 2 594 . 58 LYS CE C 39.70 . 1 595 . 58 LYS HE2 H 3.04 . 2 596 . 59 GLU N N 119.62 . 1 597 . 59 GLU H H 8.40 . 1 598 . 59 GLU CA C 56.98 . 1 599 . 59 GLU HA H 4.18 . 1 600 . 59 GLU CB C 26.73 . 1 601 . 59 GLU HB2 H 2.21 . 2 602 . 59 GLU CG C 33.88 . 1 603 . 59 GLU HG2 H 2.44 . 2 604 . 59 GLU HG3 H 2.35 . 2 605 . 60 ARG N N 120.80 . 1 606 . 60 ARG H H 8.30 . 1 607 . 60 ARG CA C 57.39 . 1 608 . 60 ARG HA H 3.93 . 1 609 . 60 ARG CB C 27.14 . 1 610 . 60 ARG HB2 H 2.06 . 2 611 . 60 ARG CG C 25.11 . 1 612 . 60 ARG HG2 H 1.81 . 2 613 . 60 ARG HG3 H 1.72 . 2 614 . 60 ARG CD C 41.46 . 1 615 . 60 ARG HD2 H 3.38 . 2 616 . 61 GLN N N 119.03 . 1 617 . 61 GLN H H 8.15 . 1 618 . 61 GLN CA C 56.83 . 1 619 . 61 GLN HA H 4.15 . 1 620 . 61 GLN CB C 25.93 . 1 621 . 61 GLN HB2 H 2.27 . 2 622 . 61 GLN CG C 31.67 . 1 623 . 61 GLN HG2 H 2.60 . 2 624 . 61 GLN HG3 H 2.47 . 2 625 . 61 GLN NE2 N 110.74 . 1 626 . 61 GLN HE21 H 7.47 . 2 627 . 61 GLN HE22 H 6.87 . 2 628 . 62 LEU N N 120.21 . 1 629 . 62 LEU H H 8.05 . 1 630 . 62 LEU CA C 55.50 . 1 631 . 62 LEU HA H 4.18 . 1 632 . 62 LEU CB C 39.20 . 1 633 . 62 LEU HB2 H 1.78 . 2 634 . 62 LEU CG C 24.56 . 1 635 . 62 LEU HG H 1.70 . 1 636 . 62 LEU CD1 C 21.53 . 1 637 . 62 LEU HD1 H 0.94 . 1 638 . 62 LEU CD2 C 21.53 . 1 639 . 62 LEU HD2 H 0.94 . 1 640 . 63 HIS N N 120.50 . 1 641 . 63 HIS H H 8.25 . 1 642 . 63 HIS CA C 59.15 . 1 643 . 63 HIS HA H 3.97 . 1 644 . 63 HIS CB C 29.31 . 1 645 . 63 HIS HB2 H 3.23 . 1 646 . 63 HIS HB3 H 3.32 . 1 647 . 64 MET N N 113.75 . 1 648 . 64 MET H H 8.12 . 1 649 . 64 MET CA C 55.13 . 1 650 . 64 MET HA H 4.51 . 1 651 . 64 MET CB C 29.67 . 1 652 . 64 MET HB2 H 2.32 . 1 653 . 64 MET HB3 H 2.27 . 1 654 . 64 MET CG C 30.05 . 1 655 . 64 MET HG2 H 3.04 . 2 656 . 64 MET HG3 H 2.95 . 2 657 . 64 MET CE C 14.53 . 1 658 . 64 MET HE H 2.38 . 1 659 . 65 GLN N N 116.98 . 1 660 . 65 GLN H H 7.50 . 1 661 . 65 GLN CA C 55.47 . 1 662 . 65 GLN HA H 4.10 . 1 663 . 65 GLN CB C 26.28 . 1 664 . 65 GLN HB2 H 2.28 . 1 665 . 65 GLN HB3 H 2.18 . 1 666 . 65 GLN CG C 31.75 . 1 667 . 65 GLN HG2 H 2.58 . 2 668 . 65 GLN HG3 H 2.39 . 2 669 . 65 GLN NE2 N 110.23 . 1 670 . 65 GLN HE21 H 7.37 . 2 671 . 65 GLN HE22 H 6.76 . 2 672 . 66 LEU N N 119.33 . 1 673 . 66 LEU H H 7.75 . 1 674 . 66 LEU CA C 54.48 . 1 675 . 66 LEU HA H 3.82 . 1 676 . 66 LEU CB C 39.90 . 1 677 . 66 LEU HB2 H 1.09 . 1 678 . 66 LEU HB3 H 0.29 . 1 679 . 66 LEU CG C 23.75 . 1 680 . 66 LEU HG H 1.38 . 1 681 . 66 LEU CD1 C 22.4 . 2 682 . 66 LEU HD1 H 0.70 . 2 683 . 66 LEU CD2 C 20.04 . 2 684 . 66 LEU HD2 H 0.65 . 2 685 . 67 TYR N N 116.39 . 1 686 . 67 TYR H H 8.13 . 1 687 . 67 TYR CA C 51.27 . 1 688 . 67 TYR HA H 5.07 . 1 689 . 67 TYR CB C 35.50 . 1 690 . 67 TYR HB2 H 2.63 . 1 691 . 67 TYR HB3 H 2.96 . 1 692 . 67 TYR HD1 H 6.30 . 3 693 . 67 TYR CD1 C 132.18 . 3 694 . 67 TYR HE1 H 6.53 . 3 695 . 67 TYR CE1 C 115.02 . 3 696 . 67 TYR HH H 6.39 . 1 697 . 68 PRO CA C 62.18 . 1 698 . 68 PRO HA H 4.69 . 1 699 . 68 PRO CB C 29.17 . 1 700 . 68 PRO HB2 H 2.42 . 2 701 . 68 PRO HB3 H 2.02 . 2 702 . 68 PRO CG C 25.38 . 1 703 . 68 PRO HG2 H 2.08 . 2 704 . 68 PRO CD C 47.58 . 1 705 . 68 PRO HD2 H 3.60 . 2 706 . 68 PRO HD3 H 3.38 . 2 707 . 69 GLY N N 109.62 . 1 708 . 69 GLY H H 8.98 . 1 709 . 69 GLY CA C 42.80 . 1 710 . 69 GLY HA2 H 4.11 . 2 711 . 69 GLY HA3 H 4.02 . 2 712 . 70 TRP N N 122.56 . 1 713 . 70 TRP H H 7.95 . 1 714 . 70 TRP CA C 57.71 . 1 715 . 70 TRP HA H 4.26 . 1 716 . 70 TRP CB C 27.11 . 1 717 . 70 TRP HB2 H 3.47 . 1 718 . 70 TRP HB3 H 3.62 . 1 719 . 70 TRP NE1 N 128.77 . 1 720 . 70 TRP HE1 H 9.49 . 1 721 . 70 TRP HD1 H 7.36 . 1 722 . 70 TRP CD1 C 126.07 . 1 723 . 70 TRP HZ2 H 7.48 . 1 724 . 70 TRP CZ2 C 112.26 . 1 725 . 70 TRP HH2 H 7.27 . 1 726 . 70 TRP CH2 C 121.72 . 1 727 . 70 TRP HZ3 H 7.18 . 1 728 . 70 TRP CZ3 C 120.35 . 1 729 . 70 TRP HE3 H 7.58 . 1 730 . 70 TRP CE3 C 118.53 . 1 731 . 71 SER N N 120.21 . 1 732 . 71 SER H H 6.90 . 1 733 . 71 SER CA C 54.75 . 1 734 . 71 SER HA H 4.11 . 1 735 . 71 SER CB C 63.45 . 1 736 . 71 SER HB2 H 3.56 . 1 737 . 71 SER HB3 H 3.98 . 1 738 . 72 ALA N N 124.91 . 1 739 . 72 ALA H H 9.11 . 1 740 . 72 ALA CA C 51.60 . 1 741 . 72 ALA HA H 3.89 . 1 742 . 72 ALA CB C 15.42 . 1 743 . 72 ALA HB H 1.61 . 1 744 . 73 ARG N N 117.86 . 1 745 . 73 ARG H H 7.94 . 1 746 . 73 ARG CA C 56.60 . 1 747 . 73 ARG HA H 3.87 . 1 748 . 73 ARG CB C 28.12 . 1 749 . 73 ARG HB2 H 1.67 . 2 750 . 73 ARG CG C 24.55 . 1 751 . 73 ARG HG2 H 1.69 . 2 752 . 73 ARG HG3 H 1.59 . 2 753 . 73 ARG CD C 41.14 . 1 754 . 73 ARG HD2 H 3.22 . 2 755 . 73 ARG HD3 H 3.19 . 2 756 . 74 ASP N N 117.86 . 1 757 . 74 ASP H H 7.27 . 1 758 . 74 ASP CA C 55.7 . 1 759 . 74 ASP HA H 4.21 . 1 760 . 74 ASP CB C 36.90 . 1 761 . 74 ASP HB2 H 2.63 . 2 762 . 74 ASP HB3 H 2.56 . 2 763 . 75 ASN N N 113.75 . 1 764 . 75 ASN H H 7.96 . 1 765 . 75 ASN CA C 49.40 . 1 766 . 75 ASN HA H 4.92 . 1 767 . 75 ASN CB C 36.32 . 1 768 . 75 ASN HB2 H 2.82 . 1 769 . 75 ASN HB3 H 3.30 . 1 770 . 76 TYR N N 121.68 . 1 771 . 76 TYR H H 7.25 . 1 772 . 76 TYR CA C 60.43 . 1 773 . 76 TYR HA H 3.97 . 1 774 . 76 TYR CB C 35.65 . 1 775 . 76 TYR HB2 H 3.29 . 2 776 . 76 TYR HB3 H 3.24 . 2 777 . 76 TYR HD1 H 7.21 . 3 778 . 76 TYR CD1 C 130.11 . 3 779 . 76 TYR HE1 H 6.92 . 3 780 . 76 TYR CE1 C 116.84 . 3 781 . 77 GLY N N 117.27 . 1 782 . 77 GLY H H 7.51 . 1 783 . 77 GLY CA C 43.88 . 1 784 . 77 GLY HA2 H 3.92 . 2 785 . 77 GLY HA3 H 3.69 . 2 786 . 78 LYS N N 119.33 . 1 787 . 78 LYS H H 7.92 . 1 788 . 78 LYS CA C 54.65 . 1 789 . 78 LYS HA H 4.27 . 1 790 . 78 LYS CB C 30.20 . 1 791 . 78 LYS HB2 H 1.92 . 2 792 . 78 LYS CG C 22.93 . 1 793 . 78 LYS HG2 H 1.59 . 2 794 . 78 LYS HG3 H 1.28 . 2 795 . 78 LYS CD C 26.15 . 1 796 . 78 LYS HD2 H 1.72 . 2 797 . 78 LYS CE C 40.23 . 1 798 . 78 LYS HE2 H 3.14 . 2 799 . 79 LYS N N 121.09 . 1 800 . 79 LYS H H 8.79 . 1 801 . 79 LYS CA C 54.75 . 1 802 . 79 LYS HA H 4.34 . 1 803 . 79 LYS CB C 29.60 . 1 804 . 79 LYS HB2 H 2.05 . 2 805 . 79 LYS CG C 22.48 . 1 806 . 79 LYS HG2 H 1.66 . 2 807 . 79 LYS HG3 H 1.53 . 2 808 . 79 LYS CD C 26.52 . 1 809 . 79 LYS HD2 H 1.90 . 2 810 . 79 LYS CE C 39.87 . 1 811 . 79 LYS HE2 H 3.17 . 2 812 . 80 LYS N N 122.26 . 1 813 . 80 LYS H H 8.18 . 1 814 . 80 LYS CA C 54.04 . 1 815 . 80 LYS HA H 4.37 . 1 816 . 80 LYS CB C 30.57 . 1 817 . 80 LYS HB2 H 1.87 . 2 818 . 80 LYS CG C 22.19 . 1 819 . 80 LYS HG2 H 1.51 . 2 820 . 80 LYS CD C 26.61 . 1 821 . 80 LYS HD2 H 1.88 . 2 822 . 80 LYS CE C 39.98 . 1 823 . 80 LYS HE2 H 3.09 . 2 824 . 81 LYS N N 122.85 . 1 825 . 81 LYS H H 8.47 . 1 826 . 81 LYS CA C 53.91 . 1 827 . 81 LYS HA H 4.35 . 1 828 . 81 LYS CB C 30.20 . 1 829 . 81 LYS HB2 H 1.87 . 2 830 . 81 LYS CG C 22.10 . 1 831 . 81 LYS HG2 H 1.51 . 2 832 . 81 LYS CD C 26.49 . 1 833 . 81 LYS HD2 H 1.88 . 2 834 . 81 LYS CE C 39.94 . 1 835 . 81 LYS HE2 H 3.09 . 2 836 . 82 ARG N N 122.26 . 1 837 . 82 ARG H H 8.30 . 1 838 . 82 ARG CA C 53.95 . 1 839 . 82 ARG HA H 4.37 . 1 840 . 82 ARG CB C 28.36 . 1 841 . 82 ARG HB2 H 1.89 . 2 842 . 82 ARG CG C 24.65 . 1 843 . 82 ARG HG2 H 1.76 . 2 844 . 82 ARG CD C 41.28 . 1 845 . 82 ARG HD2 H 3.31 . 2 846 . 83 LYS N N 122.85 . 1 847 . 83 LYS H H 8.41 . 1 848 . 83 LYS CA C 53.71 . 1 849 . 83 LYS HA H 4.51 . 1 850 . 83 LYS CB C 30.90 . 1 851 . 83 LYS HB2 H 1.91 . 2 852 . 83 LYS HB3 H 1.83 . 2 853 . 83 LYS CG C 22.12 . 1 854 . 83 LYS HG2 H 1.56 . 2 855 . 83 LYS CD C 26.54 . 1 856 . 83 LYS HD2 H 1.81 . 2 857 . 83 LYS CE C 39.95 . 1 858 . 83 LYS HE2 H 3.13 . 2 859 . 84 ARG N N 122.56 . 1 860 . 84 ARG H H 8.67 . 1 861 . 84 ARG CA C 53.91 . 1 862 . 84 ARG HA H 4.42 . 1 863 . 84 ARG CB C 28.53 . 1 864 . 84 ARG HB2 H 1.91 . 2 865 . 84 ARG HB3 H 1.85 . 2 866 . 84 ARG CG C 24.62 . 1 867 . 84 ARG HG2 H 1.71 . 2 868 . 84 ARG CD C 40.14 . 1 869 . 84 ARG HD2 H 3.29 . 2 870 . 85 GLU N N 122.56 . 1 871 . 85 GLU H H 8.49 . 1 872 . 85 GLU CA C 54.26 . 1 873 . 85 GLU HA H 4.36 . 1 874 . 85 GLU CB C 28.01 . 1 875 . 85 GLU HB2 H 2.13 . 2 876 . 85 GLU HB3 H 1.99 . 2 877 . 85 GLU CG C 33.84 . 1 878 . 85 GLU HG2 H 2.34 . 2 879 . 86 LYS N N 126.67 . 1 880 . 86 LYS H H 7.95 . 1 881 . 86 LYS CA C 55.62 . 1 882 . 86 LYS HA H 4.20 . 1 883 . 86 LYS CB C 31.40 . 1 884 . 86 LYS HB2 H 1.85 . 2 885 . 86 LYS HB3 H 1.76 . 2 886 . 86 LYS CG C 22.13 . 1 887 . 86 LYS HG2 H 1.44 . 2 888 . 86 LYS CD C 26.58 . 1 889 . 86 LYS HD2 H 1.73 . 2 890 . 86 LYS CE C 39.94 . 1 891 . 86 LYS HE2 H 3.05 . 2 stop_ save_ save_assigned_chemical_shifts_two _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name DNA_chain_B _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 DC H1' H 5.726 . 1 2 . 1 DC H2'' H 1.900 . 1 3 . 1 DC H2' H 2.415 . 1 4 . 1 DC H3' H 4.437 . 1 5 . 1 DC H4' H 4.087 . 1 6 . 1 DC H5' H 3.777 . 1 7 . 1 DC H5'' H 3.753 . 1 8 . 1 DC H5 H 5.990 . 1 9 . 1 DC H6 H 7.701 . 1 10 . 2 DA H1' H 6.240 . 1 11 . 2 DA H2'' H 2.820 . 1 12 . 2 DA H2' H 2.909 . 1 13 . 2 DA H3' H 5.504 . 1 14 . 2 DA H4' H 4.439 . 1 15 . 2 DA H5' H 4.179 . 1 16 . 2 DA H5'' H 4.067 . 1 17 . 2 DA H2 H 7.938 . 1 18 . 2 DA H8 H 8.382 . 1 19 . 3 DC H1' H 5.944 . 1 20 . 3 DC H2'' H 2.195 . 1 21 . 3 DC H2' H 2.501 . 1 22 . 3 DC H3' H 4.797 . 1 23 . 3 DC H4' H 4.240 . 1 24 . 3 DC H5' H 3.602 . 1 25 . 3 DC H5 H 5.325 . 1 26 . 3 DC H6 H 7.387 . 1 27 . 4 DC H1' H 5.982 . 1 28 . 4 DC H2'' H 2.133 . 1 29 . 4 DC H2' H 2.541 . 1 30 . 4 DC H3' H 4.875 . 1 31 . 4 DC H4' H 4.177 . 1 32 . 4 DC H5 H 5.416 . 1 33 . 4 DC H6 H 7.531 . 1 34 . 5 DC H1' H 6.046 . 1 35 . 5 DC H2'' H 2.400 . 1 36 . 5 DC H2' H 1.950 . 1 37 . 5 DC H3' H 4.893 . 1 38 . 5 DC H4' H 4.048 . 1 39 . 5 DC H5 H 5.715 . 1 40 . 5 DC H6 H 7.515 . 1 41 . 6 DT H1' H 6.325 . 1 42 . 6 DT H2'' H 2.268 . 1 43 . 6 DT H2' H 1.898 . 1 44 . 6 DT H3' H 5.022 . 1 45 . 6 DT H4' H 3.676 . 1 46 . 6 DT H5' H 3.993 . 2 47 . 6 DT H5'' H 4.132 . 2 48 . 6 DT H6 H 7.334 . 1 49 . 6 DT H71 H 2.028 . 1 50 . 6 DT H72 H 2.028 . 1 51 . 6 DT H73 H 2.028 . 1 52 . 7 DT H1' H 6.202 . 1 53 . 7 DT H2'' H 1.683 . 1 54 . 7 DT H2' H 1.411 . 1 55 . 7 DT H3' H 4.835 . 1 56 . 7 DT H4' H 3.917 . 1 57 . 7 DT H5' H 4.219 . 2 58 . 7 DT H5'' H 4.061 . 2 59 . 7 DT H6 H 7.022 . 1 60 . 7 DT H71 H 1.976 . 1 61 . 7 DT H72 H 1.976 . 1 62 . 7 DT H73 H 1.976 . 1 63 . 8 DT H1' H 5.465 . 1 64 . 8 DT H2'' H 2.563 . 1 65 . 8 DT H2' H 2.129 . 1 66 . 8 DT H3' H 4.799 . 1 67 . 8 DT H4' H 3.833 . 1 68 . 8 DT H6 H 7.247 . 1 69 . 8 DT H71 H 1.909 . 1 70 . 8 DT H72 H 1.909 . 1 71 . 8 DT H73 H 1.909 . 1 72 . 9 DG H1' H 5.533 . 1 73 . 9 DG H2'' H 2.857 . 1 74 . 9 DG H2' H 2.772 . 1 75 . 9 DG H3' H 5.366 . 1 76 . 9 DG H4' H 3.829 . 1 77 . 9 DG H5' H 4.493 . 2 78 . 9 DG H5'' H 3.620 . 2 79 . 9 DG H8 H 8.015 . 1 80 . 10 DA H1' H 6.298 . 1 81 . 10 DA H2'' H 3.125 . 1 82 . 10 DA H2' H 2.958 . 1 83 . 10 DA H3' H 5.198 . 1 84 . 10 DA H4' H 4.476 . 1 85 . 10 DA H5' H 4.014 . 2 86 . 10 DA H2 H 7.513 . 1 87 . 10 DA H8 H 8.233 . 1 88 . 11 DA H1' H 5.781 . 1 89 . 11 DA H2' H 2.784 . 1 90 . 11 DA H2'' H 2.471 . 1 91 . 11 DA H3' H 5.108 . 1 92 . 11 DA H4' H 4.461 . 1 93 . 11 DA H2 H 7.395 . 1 94 . 11 DA H8 H 8.000 . 1 95 . 12 DG H1' H 5.473 . 1 96 . 12 DG H2' H 2.379 . 1 97 . 12 DG H2'' H 1.160 . 1 98 . 12 DG H3' H 4.244 . 1 99 . 12 DG H4' H 3.604 . 1 100 . 12 DG H5' H 2.901 . 2 101 . 12 DG H8 H 7.341 . 1 102 . 13 DC H1' H 5.866 . 1 103 . 13 DC H2'' H 2.517 . 1 104 . 13 DC H2' H 2.212 . 1 105 . 13 DC H3' H 4.649 . 1 106 . 13 DC H4' H 4.144 . 1 107 . 13 DC H5' H 3.962 . 2 108 . 13 DC H5'' H 3.533 . 2 109 . 13 DC H5 H 4.870 . 1 110 . 13 DC H6 H 7.324 . 1 111 . 14 DT H1' H 6.237 . 1 112 . 14 DT H2'' H 2.595 . 1 113 . 14 DT H2' H 2.269 . 1 114 . 14 DT H3' H 4.923 . 1 115 . 14 DT H4' H 4.260 . 1 116 . 14 DT H6 H 7.619 . 1 117 . 14 DT H71 H 1.590 . 1 118 . 14 DT H72 H 1.590 . 1 119 . 14 DT H73 H 1.590 . 1 120 . 15 DC H1' H 6.337 . 1 121 . 15 DC H2' H 2.319 . 1 122 . 15 DC H2'' H 2.319 . 1 123 . 15 DC H3' H 4.606 . 1 124 . 15 DC H4' H 4.072 . 1 125 . 15 DC H5' H 4.221 . 2 126 . 15 DC H5 H 5.875 . 1 127 . 15 DC H6 H 7.726 . 1 stop_ save_ save_assigned_chemical_shifts_three _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name DNA_chain_C _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 DG H1' H 5.584 . 1 2 . 1 DG H2'' H 2.655 . 1 3 . 1 DG H2' H 2.438 . 1 4 . 1 DG H3' H 4.831 . 1 5 . 1 DG H4' H 4.179 . 1 6 . 1 DG H5' H 3.676 . 2 7 . 1 DG H8 H 7.862 . 1 8 . 2 DA H1' H 6.012 . 1 9 . 2 DA H2'' H 2.900 . 1 10 . 2 DA H2' H 2.735 . 1 11 . 2 DA H3' H 5.066 . 1 12 . 2 DA H4' H 4.431 . 1 13 . 2 DA H2 H 7.944 . 1 14 . 2 DA H8 H 8.172 . 1 15 . 3 DG H1' H 5.882 . 1 16 . 3 DG H2' H 2.722 . 1 17 . 3 DG H2'' H 2.586 . 1 18 . 3 DG H3' H 4.991 . 1 19 . 3 DG H4' H 4.443 . 1 20 . 3 DG H5' H 4.334 . 2 21 . 3 DG H8 H 7.722 . 1 22 . 4 DC H1' H 5.973 . 1 23 . 4 DC H2'' H 2.659 . 1 24 . 4 DC H2' H 2.124 . 1 25 . 4 DC H3' H 4.341 . 1 26 . 4 DC H5 H 5.212 . 1 27 . 4 DC H6 H 7.289 . 1 28 . 5 DT H1' H 6.220 . 1 29 . 5 DT H2'' H 2.668 . 1 30 . 5 DT H2' H 2.280 . 1 31 . 5 DT H3' H 4.986 . 1 32 . 5 DT H4' H 4.359 . 1 33 . 5 DT H6 H 7.565 . 1 34 . 5 DT H71 H 1.638 . 1 35 . 5 DT H72 H 1.638 . 1 36 . 5 DT H73 H 1.638 . 1 37 . 6 DT H1' H 5.800 . 1 38 . 6 DT H2'' H 2.332 . 1 39 . 6 DT H2' H 2.155 . 1 40 . 6 DT H3' H 4.888 . 1 41 . 6 DT H4' H 2.242 . 1 42 . 6 DT H6 H 7.421 . 1 43 . 6 DT H71 H 1.688 . 1 44 . 6 DT H72 H 1.688 . 1 45 . 6 DT H73 H 1.688 . 1 46 . 7 DC H1' H 5.350 . 1 47 . 7 DC H2' H 2.804 . 2 48 . 7 DC H2'' H 2.043 . 2 49 . 7 DC H3' H 5.276 . 1 50 . 7 DC H4' H 4.575 . 1 51 . 7 DC H5' H 4.390 . 2 52 . 7 DC H5'' H 3.807 . 2 53 . 7 DC H5 H 5.970 . 1 54 . 7 DC H6 H 7.892 . 1 55 . 8 DA H1' H 6.054 . 1 56 . 8 DA H2'' H 2.230 . 1 57 . 8 DA H2' H 1.699 . 1 58 . 8 DA H3' H 4.890 . 1 59 . 8 DA H4' H 4.215 . 1 60 . 8 DA H2 H 7.720 . 1 61 . 8 DA H8 H 8.393 . 1 62 . 9 DA H1' H 5.707 . 1 63 . 9 DA H2' H 2.664 . 1 64 . 9 DA H2'' H 2.584 . 1 65 . 9 DA H3' H 4.946 . 1 66 . 9 DA H4' H 4.081 . 1 67 . 9 DA H5' H 3.460 . 2 68 . 9 DA H2 H 7.583 . 1 69 . 9 DA H8 H 8.316 . 1 70 . 10 DA H1' H 5.457 . 1 71 . 10 DA H2' H 2.544 . 1 72 . 10 DA H2'' H 2.544 . 1 73 . 10 DA H3' H 4.959 . 1 74 . 10 DA H4' H 3.782 . 1 75 . 10 DA H5' H 4.011 . 2 76 . 10 DA H2 H 7.432 . 1 77 . 10 DA H8 H 8.159 . 1 78 . 11 DG H1' H 5.332 . 1 79 . 11 DG H2' H 2.764 . 1 80 . 11 DG H2'' H 2.764 . 1 81 . 11 DG H3' H 4.971 . 1 82 . 11 DG H4' H 4.423 . 1 83 . 11 DG H5' H 3.866 . 2 84 . 11 DG H8 H 7.836 . 1 85 . 12 DG H1' H 5.995 . 1 86 . 12 DG H2' H 2.909 . 2 87 . 12 DG H2'' H 2.714 . 2 88 . 12 DG H3' H 5.043 . 1 89 . 12 DG H4' H 4.274 . 1 90 . 12 DG H5' H 3.988 . 2 91 . 12 DG H8 H 7.828 . 1 92 . 13 DG H1' H 5.950 . 1 93 . 13 DG H2' H 2.772 . 2 94 . 13 DG H2'' H 2.508 . 2 95 . 13 DG H3' H 4.938 . 1 96 . 13 DG H4' H 4.395 . 1 97 . 13 DG H8 H 7.634 . 1 98 . 14 DT H1' H 5.895 . 1 99 . 14 DT H2' H 2.394 . 2 100 . 14 DT H2'' H 1.970 . 2 101 . 14 DT H3' H 4.876 . 1 102 . 14 DT H4' H 4.181 . 1 103 . 14 DT H6 H 7.175 . 1 104 . 14 DT H71 H 1.476 . 1 105 . 14 DT H72 H 1.476 . 1 106 . 14 DT H73 H 1.476 . 1 107 . 15 DG H1' H 6.194 . 1 108 . 15 DG H2' H 2.633 . 1 109 . 15 DG H2'' H 2.400 . 1 110 . 15 DG H3' H 4.703 . 1 111 . 15 DG H4' H 4.189 . 1 112 . 15 DG H8 H 7.926 . 1 stop_ save_